MMsINC Database Search


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MMsINC code: MMs01669112

Type: Neutral
Formula: C₁₄H₁₈F₂N₂O₃

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NC(C(=O)NCCC)C

InChI:

InChI=1/C14H18F2N2O3/c1-3-8-17-12(19)9(2)18-13(20)10-4-6-11(7-5-10)21-14(15)16/h4-7,9,14H,3,8H2,1-2H3,(H,17,19)(H,18,20)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6651 kcal/mol

Physical Properties
Molecular Weight: 300.305 g/mol	logS: -2.69402	SlogP: 2.3524	Reactive groups: 0

Topological Properties
Globularity: 0.0304567	Sterimol/B1: 2.54323	Sterimol/B2: 2.86128	Sterimol/B3: 3.97883
Sterimol/B4: 5.74061	Sterimol/L: 18.508

Surface and Volume Properties
Accessible surface: 551.224	Positive charged surface: 327.602	Negative charged surface: 223.622	Volume: 272.375
Hydrophobic surface: 346.128	Hydrophilic surface: 205.096

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.